6-bromo-2,3-dimethyl-4-{[(3-methylbenzoyl)oxy]imino}cyclohexa-2,5-dien-1-one
Chemical Structure Depiction of
6-bromo-2,3-dimethyl-4-{[(3-methylbenzoyl)oxy]imino}cyclohexa-2,5-dien-1-one
6-bromo-2,3-dimethyl-4-{[(3-methylbenzoyl)oxy]imino}cyclohexa-2,5-dien-1-one
Compound characteristics
| Compound ID: | 2548-0636 |
| Compound Name: | 6-bromo-2,3-dimethyl-4-{[(3-methylbenzoyl)oxy]imino}cyclohexa-2,5-dien-1-one |
| Molecular Weight: | 348.19 |
| Molecular Formula: | C16 H14 Br N O3 |
| Smiles: | CC1=C(C)C(C(=C\C1=N/OC(c1cccc(C)c1)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9886 |
| logD: | 3.9886 |
| logSw: | -4.1555 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.9 |
| InChI Key: | XSZNDKVULKMMDV-UHFFFAOYSA-N |